4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

C13H17N5O — CID 102922588

IUPAC4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(-c3cncnc3)n2)CC1
InChIInChI=1S/C13H17N5O/c1-9-2-4-13(14,5-3-9)12-17-11(19-18-12)10-6-15-8-16-7-10/h6-9H,2-5,14H2,1H3
InChIKeyKJULUCAYYKYXEH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.89
Rot. Bonds2

About 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (PubChem CID 102922588) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
PubChem CID102922588
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(-c3cncnc3)n2)CC1
InChIInChI=1S/C13H17N5O/c1-9-2-4-13(14,5-3-9)12-17-11(19-18-12)10-6-15-8-16-7-10/h6-9H,2-5,14H2,1H3
InChIKeyKJULUCAYYKYXEH-UHFFFAOYSA-N
XLogP1.89
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 105064371
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 65207366
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 106863473
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 107099601
4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353339
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104786423
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 104632823

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (CID 102922588) is 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is CC1CCC(N)(c2noc(-c3cncnc3)n2)CC1.
What is the InChIKey of 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The InChIKey is KJULUCAYYKYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-2-4-13(14,5-3-9)12-17-11(19-18-12)10-6-15-8-16-7-10/h6-9H,2-5,14H2,1H3.
What are the key properties of 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 102922588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).